4,4-dinaphthalen-1-ylbutane-1,3-diamine

C24H24N2 — CID 174755307

IUPAC4,4-dinaphthalen-1-ylbutane-1,3-diamine
SMILESNCCC(N)C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C24H24N2/c25-16-15-23(26)24(21-13-5-9-17-7-1-3-11-19(17)21)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-24H,15-16,25-26H2
InChIKeyROGASFKZPRKVFK-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.80
Rot. Bonds5

About 4,4-dinaphthalen-1-ylbutane-1,3-diamine

4,4-dinaphthalen-1-ylbutane-1,3-diamine (PubChem CID 174755307) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4,4-dinaphthalen-1-ylbutane-1,3-diamine.

Molecular Properties

Compound Name4,4-dinaphthalen-1-ylbutane-1,3-diamine
PubChem CID174755307
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name4,4-dinaphthalen-1-ylbutane-1,3-diamine
SMILESNCCC(N)C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C24H24N2/c25-16-15-23(26)24(21-13-5-9-17-7-1-3-11-19(17)21)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-24H,15-16,25-26H2
InChIKeyROGASFKZPRKVFK-UHFFFAOYSA-N
XLogP4.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-1-ylbutane-1,2-diamine
CID 142736205
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
3-naphthalen-1-ylheptan-1-amine
CID 142028314
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
2,2,2-trichloro-1-naphthalen-1-ylethanamine
CID 101218530
2-fluoro-2-naphthalen-1-ylethanamine
CID 112562724
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
CID 57188438

Frequently Asked Questions

What is the IUPAC name of 4,4-dinaphthalen-1-ylbutane-1,3-diamine?
The IUPAC name of 4,4-dinaphthalen-1-ylbutane-1,3-diamine (CID 174755307) is 4,4-dinaphthalen-1-ylbutane-1,3-diamine.
What is the SMILES notation for 4,4-dinaphthalen-1-ylbutane-1,3-diamine?
The canonical SMILES for 4,4-dinaphthalen-1-ylbutane-1,3-diamine is NCCC(N)C(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 4,4-dinaphthalen-1-ylbutane-1,3-diamine?
The InChIKey is ROGASFKZPRKVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c25-16-15-23(26)24(21-13-5-9-17-7-1-3-11-19(17)21)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-24H,15-16,25-26H2.
What are the key properties of 4,4-dinaphthalen-1-ylbutane-1,3-diamine?
4,4-dinaphthalen-1-ylbutane-1,3-diamine has a molecular weight of 340.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dinaphthalen-1-ylbutane-1,3-diamine is sourced from PubChem (CID 174755307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).