1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine

C16H32N2 — CID 83054704

IUPAC1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine
SMILESCCCC(CNC(C)(C)C)N(CC1CC1)C1CC1
InChIInChI=1S/C16H32N2/c1-5-6-15(11-17-16(2,3)4)18(14-9-10-14)12-13-7-8-13/h13-15,17H,5-12H2,1-4H3
InChIKeyDNASWJNLROFJGS-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds8

About 1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine

1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine (PubChem CID 83054704) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine
PubChem CID83054704
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine
SMILESCCCC(CNC(C)(C)C)N(CC1CC1)C1CC1
InChIInChI=1S/C16H32N2/c1-5-6-15(11-17-16(2,3)4)18(14-9-10-14)12-13-7-8-13/h13-15,17H,5-12H2,1-4H3
InChIKeyDNASWJNLROFJGS-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-cyclopropyl-2-N-prop-2-enylpentane-1,2-diamine
CID 83044416
1-N-tert-butyl-2-N-(cyclopropylmethyl)-2-N-propylbutane-1,2-diamine
CID 62430592
1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 78989943
1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 83042217
1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
CID 62422950
1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
CID 63490991
1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 78989879
2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83054723
N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine
CID 83054006
1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine
CID 83042225
1-N,2-N-dicyclopropyl-2-N-(cyclopropylmethyl)-3-methoxypropane-1,2-diamine
CID 103226758
2-N-cyclopropyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 83043131

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine (CID 83054704) is 1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine is CCCC(CNC(C)(C)C)N(CC1CC1)C1CC1.
What is the InChIKey of 1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine?
The InChIKey is DNASWJNLROFJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-6-15(11-17-16(2,3)4)18(14-9-10-14)12-13-7-8-13/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine?
1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 83054704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).