1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine

C17H30N2 — CID 115317343

IUPAC1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine
SMILESCCCC(c1ccccc1)N(C)CCC(N)C(C)C
InChIInChI=1S/C17H30N2/c1-5-9-17(15-10-7-6-8-11-15)19(4)13-12-16(18)14(2)3/h6-8,10-11,14,16-17H,5,9,12-13,18H2,1-4H3
InChIKeyCZAIBDDZBHWZMV-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.83
Rot. Bonds8

About 1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine

1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine (PubChem CID 115317343) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine
PubChem CID115317343
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine
SMILESCCCC(c1ccccc1)N(C)CCC(N)C(C)C
InChIInChI=1S/C17H30N2/c1-5-9-17(15-10-7-6-8-11-15)19(4)13-12-16(18)14(2)3/h6-8,10-11,14,16-17H,5,9,12-13,18H2,1-4H3
InChIKeyCZAIBDDZBHWZMV-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine (CID 115317343) is 1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine is CCCC(c1ccccc1)N(C)CCC(N)C(C)C.
What is the InChIKey of 1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine?
The InChIKey is CZAIBDDZBHWZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-9-17(15-10-7-6-8-11-15)19(4)13-12-16(18)14(2)3/h6-8,10-11,14,16-17H,5,9,12-13,18H2,1-4H3.
What are the key properties of 1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine?
1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine is sourced from PubChem (CID 115317343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).