3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine

C25H26N2 — CID 22486889

IUPAC3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine
SMILESCC(C)C(N)C(N)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C25H26N2/c1-17(2)24(26)25(27,22-15-7-11-18-9-3-5-13-20(18)22)23-16-8-12-19-10-4-6-14-21(19)23/h3-17,24H,26-27H2,1-2H3
InChIKeyWMOCSBSDPNLVAZ-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.18
Rot. Bonds4

About 3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine

3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine (PubChem CID 22486889) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine
PubChem CID22486889
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine
SMILESCC(C)C(N)C(N)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C25H26N2/c1-17(2)24(26)25(27,22-15-7-11-18-9-3-5-13-20(18)22)23-16-8-12-19-10-4-6-14-21(19)23/h3-17,24H,26-27H2,1-2H3
InChIKeyWMOCSBSDPNLVAZ-UHFFFAOYSA-N
XLogP5.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
CID 116839348
(2S)-2-amino-2-naphthalen-1-ylpropanal
CID 87513009
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol
CID 66089361
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
CID 63898473
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene
CID 173312876
1-(trichloromethyl)naphthalene
CID 12791328
N,4-dimethyl-4-naphthalen-1-ylpentan-2-amine
CID 64718281
1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
3-hydroxy-3-naphthalen-1-yl-2-propan-2-ylbutanoic acid
CID 62399048

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine?
The IUPAC name of 3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine (CID 22486889) is 3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine.
What is the SMILES notation for 3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine?
The canonical SMILES for 3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine is CC(C)C(N)C(N)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine?
The InChIKey is WMOCSBSDPNLVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-17(2)24(26)25(27,22-15-7-11-18-9-3-5-13-20(18)22)23-16-8-12-19-10-4-6-14-21(19)23/h3-17,24H,26-27H2,1-2H3.
What are the key properties of 3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine?
3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine has a molecular weight of 354.50 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine is sourced from PubChem (CID 22486889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).