N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide

C17H25N5 — CID 143906289

IUPACN'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide
SMILESCc1ccc(C(CCN(C)C)N(N)/N=C\N)c2ccccc12
InChIInChI=1S/C17H25N5/c1-13-8-9-16(15-7-5-4-6-14(13)15)17(10-11-21(2)3)22(19)20-12-18/h4-9,12,17H,10-11,19H2,1-3H3,(H2,18,20)
InChIKeyOBTHUPHNWDMDTP-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.22
Rot. Bonds6

About N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide

N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide (PubChem CID 143906289) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide.

Molecular Properties

Compound NameN'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide
PubChem CID143906289
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide
SMILESCc1ccc(C(CCN(C)C)N(N)/N=C\N)c2ccccc12
InChIInChI=1S/C17H25N5/c1-13-8-9-16(15-7-5-4-6-14(13)15)17(10-11-21(2)3)22(19)20-12-18/h4-9,12,17H,10-11,19H2,1-3H3,(H2,18,20)
InChIKeyOBTHUPHNWDMDTP-UHFFFAOYSA-N
XLogP2.22
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide
CID 143906258
N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide
CID 143906363
N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide
CID 143906243
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525
(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
CID 171208933
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171228539
1-(difluoromethyl)-4-methylnaphthalene
CID 53408199
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine
CID 170865366
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944

Frequently Asked Questions

What is the IUPAC name of N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide?
The IUPAC name of N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide (CID 143906289) is N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide.
What is the SMILES notation for N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide?
The canonical SMILES for N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide is Cc1ccc(C(CCN(C)C)N(N)/N=C\N)c2ccccc12.
What is the InChIKey of N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide?
The InChIKey is OBTHUPHNWDMDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13-8-9-16(15-7-5-4-6-14(13)15)17(10-11-21(2)3)22(19)20-12-18/h4-9,12,17H,10-11,19H2,1-3H3,(H2,18,20).
What are the key properties of N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide?
N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide has a molecular weight of 299.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide is sourced from PubChem (CID 143906289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).