N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine

C12H24N2 — CID 102875057

IUPACN'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
SMILESNCCCN(CC1CCC1)C1CCC1
InChIInChI=1S/C12H24N2/c13-8-3-9-14(12-6-2-7-12)10-11-4-1-5-11/h11-12H,1-10,13H2
InChIKeyVIXQSFBNQXOMNM-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds6

About N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine

N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine (PubChem CID 102875057) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
PubChem CID102875057
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
SMILESNCCCN(CC1CCC1)C1CCC1
InChIInChI=1S/C12H24N2/c13-8-3-9-14(12-6-2-7-12)10-11-4-1-5-11/h11-12H,1-10,13H2
InChIKeyVIXQSFBNQXOMNM-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopentyl-N'-(cyclopentylmethyl)propane-1,3-diamine
CID 61344091
N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine
CID 114225230
N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine
CID 102860573
N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride
CID 174640221
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
N-(2-bromoethyl)-N-(cyclobutylmethyl)cyclopentanamine
CID 80672742
N'-cyclopentyl-N'-hexylpropane-1,3-diamine
CID 43137589
N'-cyclopentyl-N'-nonylpropane-1,3-diamine
CID 43319594
3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine
CID 63045600
N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79172179
N'-cyclohexyl-N'-heptylpropane-1,3-diamine
CID 43137640
N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
CID 102896430

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine (CID 102875057) is N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine is NCCCN(CC1CCC1)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine?
The InChIKey is VIXQSFBNQXOMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c13-8-3-9-14(12-6-2-7-12)10-11-4-1-5-11/h11-12H,1-10,13H2.
What are the key properties of N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine?
N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine is sourced from PubChem (CID 102875057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).