butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)

C34H63N3 — CID 90732406

IUPACbutane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)
SMILESCCCC.CCCCN(CCCC)CCCC.CN(C)Cc1ccccc1.CN(C)Cc1ccccc1
InChIInChI=1S/C12H27N.2C9H13N.C4H10/c1-4-7-10-13(11-8-5-2)12-9-6-3;2*1-10(2)8-9-6-4-3-5-7-9;1-3-4-2/h4-12H2,1-3H3;2*3-7H,8H2,1-2H3;3-4H2,1-2H3
InChIKeyUIJQDNIVBZTLBN-UHFFFAOYSA-N
MW513.90 g/mol
LogP8.99
Rot. Bonds14

About butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)

butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine) (PubChem CID 90732406) has the molecular formula C34H63N3 and a molecular weight of 513.90 g/mol. Its IUPAC name is butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine).

Molecular Properties

Compound Namebutane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)
PubChem CID90732406
Molecular FormulaC34H63N3
Molecular Weight513.90 g/mol
Exact Mass513.50
IUPAC Namebutane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)
SMILESCCCC.CCCCN(CCCC)CCCC.CN(C)Cc1ccccc1.CN(C)Cc1ccccc1
InChIInChI=1S/C12H27N.2C9H13N.C4H10/c1-4-7-10-13(11-8-5-2)12-9-6-3;2*1-10(2)8-9-6-4-3-5-7-9;1-3-4-2/h4-12H2,1-3H3;2*3-7H,8H2,1-2H3;3-4H2,1-2H3
InChIKeyUIJQDNIVBZTLBN-UHFFFAOYSA-N
XLogP8.99
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.90
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
N,N-dibenzyldodecan-1-amine
CID 11508874
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N,N-dimethyl-1-phenylmethanamine;ethane;N-methylmethanamine
CID 91426963
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559

Frequently Asked Questions

What is the IUPAC name of butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)?
The IUPAC name of butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine) (CID 90732406) is butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine).
What is the SMILES notation for butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)?
The canonical SMILES for butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine) is CCCC.CCCCN(CCCC)CCCC.CN(C)Cc1ccccc1.CN(C)Cc1ccccc1.
What is the InChIKey of butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)?
The InChIKey is UIJQDNIVBZTLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.2C9H13N.C4H10/c1-4-7-10-13(11-8-5-2)12-9-6-3;2*1-10(2)8-9-6-4-3-5-7-9;1-3-4-2/h4-12H2,1-3H3;2*3-7H,8H2,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)?
butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine) has a molecular weight of 513.90 g/mol, XLogP of 8.99, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine) is sourced from PubChem (CID 90732406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).