N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine

C17H28N2 — CID 18396652

IUPACN'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine
SMILESCCCN(CCCCN)[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-2-12-19(13-6-5-11-18)17-10-9-15-7-3-4-8-16(15)14-17/h3-4,7-8,17H,2,5-6,9-14,18H2,1H3/t17-/m1/s1
InChIKeyRKHOQMIIVZUAHN-QGZVFWFLSA-N
MW260.43 g/mol
LogP2.99
Rot. Bonds7

About N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine

N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine (PubChem CID 18396652) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine
PubChem CID18396652
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine
SMILESCCCN(CCCCN)[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-2-12-19(13-6-5-11-18)17-10-9-15-7-3-4-8-16(15)14-17/h3-4,7-8,17H,2,5-6,9-14,18H2,1H3/t17-/m1/s1
InChIKeyRKHOQMIIVZUAHN-QGZVFWFLSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Aminotetralin
CID 34677
(2S,4R)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10106214
n,n-Dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 242461
alpha-benzyl-N-methylphenethylamine
CID 93287
Iem 1365
CID 99869
1-(2-Phenylethyl)piperidin-4-amine
CID 10728788
(S)-1,2,3,4-Tetrahydro-2-naphthylamine
CID 9964136
1-Phenyl-3-dimethylamino-1,2,3,4-tetrahydronaphthalene
CID 10015055
(2S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10037815
N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 132954
(S)-5-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11186985
(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10060088

Frequently Asked Questions

What is the IUPAC name of N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine?
The IUPAC name of N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine (CID 18396652) is N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine.
What is the SMILES notation for N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine?
The canonical SMILES for N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine is CCCN(CCCCN)[C@@H]1CCc2ccccc2C1.
What is the InChIKey of N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine?
The InChIKey is RKHOQMIIVZUAHN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-12-19(13-6-5-11-18)17-10-9-15-7-3-4-8-16(15)14-17/h3-4,7-8,17H,2,5-6,9-14,18H2,1H3/t17-/m1/s1.
What are the key properties of N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine?
N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine has a molecular weight of 260.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine is sourced from PubChem (CID 18396652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).