1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine

C18H40N2 — CID 63493785

IUPAC1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine
SMILESCCCCN(CCC(NCCC)C(C)(C)C)C(C)CC
InChIInChI=1S/C18H40N2/c1-8-11-14-20(16(4)10-3)15-12-17(18(5,6)7)19-13-9-2/h16-17,19H,8-15H2,1-7H3
InChIKeyDYAKXNGEUKYZJI-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.69
Rot. Bonds11

About 1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine

1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine (PubChem CID 63493785) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine
PubChem CID63493785
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine
SMILESCCCCN(CCC(NCCC)C(C)(C)C)C(C)CC
InChIInChI=1S/C18H40N2/c1-8-11-14-20(16(4)10-3)15-12-17(18(5,6)7)19-13-9-2/h16-17,19H,8-15H2,1-7H3
InChIKeyDYAKXNGEUKYZJI-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine?
The IUPAC name of 1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine (CID 63493785) is 1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine.
What is the SMILES notation for 1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine?
The canonical SMILES for 1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine is CCCCN(CCC(NCCC)C(C)(C)C)C(C)CC.
What is the InChIKey of 1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine?
The InChIKey is DYAKXNGEUKYZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-8-11-14-20(16(4)10-3)15-12-17(18(5,6)7)19-13-9-2/h16-17,19H,8-15H2,1-7H3.
What are the key properties of 1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine?
1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine is sourced from PubChem (CID 63493785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).