(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine

C15H20N2 — CID 171208933

IUPAC(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
SMILESCc1ccc([C@H](N)CCCN)c2ccccc12
InChIInChI=1S/C15H20N2/c1-11-8-9-14(15(17)7-4-10-16)13-6-3-2-5-12(11)13/h2-3,5-6,8-9,15H,4,7,10,16-17H2,1H3/t15-/m1/s1
InChIKeyRGGVRNQIDFAADQ-OAHLLOKOSA-N
MW228.34 g/mol
LogP2.89
Rot. Bonds4

About (1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine

(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine (PubChem CID 171208933) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
PubChem CID171208933
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
SMILESCc1ccc([C@H](N)CCCN)c2ccccc12
InChIInChI=1S/C15H20N2/c1-11-8-9-14(15(17)7-4-10-16)13-6-3-2-5-12(11)13/h2-3,5-6,8-9,15H,4,7,10,16-17H2,1H3/t15-/m1/s1
InChIKeyRGGVRNQIDFAADQ-OAHLLOKOSA-N
XLogP2.89
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171228539
(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
(1R)-1-phenanthren-9-ylbutane-1,4-diamine
CID 171212804
(1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171313788
ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171228563
(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
CID 171216978
(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethanamine;hydrochloride
CID 171208948
4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
CID 171228462

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine (CID 171208933) is (1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine is Cc1ccc([C@H](N)CCCN)c2ccccc12.
What is the InChIKey of (1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine?
The InChIKey is RGGVRNQIDFAADQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-8-9-14(15(17)7-4-10-16)13-6-3-2-5-12(11)13/h2-3,5-6,8-9,15H,4,7,10,16-17H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine?
(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine has a molecular weight of 228.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine is sourced from PubChem (CID 171208933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).