3-naphthalen-1-ylbutane-1,2-diamine

C14H18N2 — CID 142736205

IUPAC3-naphthalen-1-ylbutane-1,2-diamine
SMILESCC(c1cccc2ccccc12)C(N)CN
InChIInChI=1S/C14H18N2/c1-10(14(16)9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10,14H,9,15-16H2,1H3
InChIKeyFBHKMRAOOLSZHC-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.23
Rot. Bonds3

About 3-naphthalen-1-ylbutane-1,2-diamine

3-naphthalen-1-ylbutane-1,2-diamine (PubChem CID 142736205) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-naphthalen-1-ylbutane-1,2-diamine.

Molecular Properties

Compound Name3-naphthalen-1-ylbutane-1,2-diamine
PubChem CID142736205
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-naphthalen-1-ylbutane-1,2-diamine
SMILESCC(c1cccc2ccccc12)C(N)CN
InChIInChI=1S/C14H18N2/c1-10(14(16)9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10,14H,9,15-16H2,1H3
InChIKeyFBHKMRAOOLSZHC-UHFFFAOYSA-N
XLogP2.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
2-fluoro-2-naphthalen-1-ylethanamine
CID 112562724
4,4-dinaphthalen-1-ylbutane-1,3-diamine
CID 174755307
1-(3-chloropentan-2-yl)naphthalene
CID 79308301
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylbutane-1,2-diamine?
The IUPAC name of 3-naphthalen-1-ylbutane-1,2-diamine (CID 142736205) is 3-naphthalen-1-ylbutane-1,2-diamine.
What is the SMILES notation for 3-naphthalen-1-ylbutane-1,2-diamine?
The canonical SMILES for 3-naphthalen-1-ylbutane-1,2-diamine is CC(c1cccc2ccccc12)C(N)CN.
What is the InChIKey of 3-naphthalen-1-ylbutane-1,2-diamine?
The InChIKey is FBHKMRAOOLSZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(14(16)9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10,14H,9,15-16H2,1H3.
What are the key properties of 3-naphthalen-1-ylbutane-1,2-diamine?
3-naphthalen-1-ylbutane-1,2-diamine has a molecular weight of 214.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylbutane-1,2-diamine is sourced from PubChem (CID 142736205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).