1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine

C16H34N2 — CID 62861204

IUPAC1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
SMILESCCCNC(CCN(C)CC1CCC1)C(C)(C)C
InChIInChI=1S/C16H34N2/c1-6-11-17-15(16(2,3)4)10-12-18(5)13-14-8-7-9-14/h14-15,17H,6-13H2,1-5H3
InChIKeyUCRAFCALEPMKHD-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds8

About 1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine

1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine (PubChem CID 62861204) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
PubChem CID62861204
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
SMILESCCCNC(CCN(C)CC1CCC1)C(C)(C)C
InChIInChI=1S/C16H34N2/c1-6-11-17-15(16(2,3)4)10-12-18(5)13-14-8-7-9-14/h14-15,17H,6-13H2,1-5H3
InChIKeyUCRAFCALEPMKHD-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine?
The IUPAC name of 1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine (CID 62861204) is 1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine.
What is the SMILES notation for 1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine?
The canonical SMILES for 1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine is CCCNC(CCN(C)CC1CCC1)C(C)(C)C.
What is the InChIKey of 1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine?
The InChIKey is UCRAFCALEPMKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-11-17-15(16(2,3)4)10-12-18(5)13-14-8-7-9-14/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine?
1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine is sourced from PubChem (CID 62861204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).