2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine

C18H38N2 — CID 146323959

IUPAC2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine
SMILESCCCCC(C)(N)C(C)(CN)C(C)C1CC(CCC)C1
InChIInChI=1S/C18H38N2/c1-6-8-10-18(5,20)17(4,13-19)14(3)16-11-15(12-16)9-7-2/h14-16H,6-13,19-20H2,1-5H3
InChIKeyXOAWFQGVVUKDPC-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.32
Rot. Bonds9

About 2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine

2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine (PubChem CID 146323959) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine
PubChem CID146323959
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine
SMILESCCCCC(C)(N)C(C)(CN)C(C)C1CC(CCC)C1
InChIInChI=1S/C18H38N2/c1-6-8-10-18(5,20)17(4,13-19)14(3)16-11-15(12-16)9-7-2/h14-16H,6-13,19-20H2,1-5H3
InChIKeyXOAWFQGVVUKDPC-UHFFFAOYSA-N
XLogP4.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane
CID 123502535
1-heptan-2-yl-3-propylcyclobutane
CID 123811965
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
1-butyl-3,5-dipropylcyclohexane
CID 145132341
1,4-dipropylcyclohexane;pentane
CID 90867354
1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane
CID 142573573
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
1-(1-chloroethyl)-3-propylcyclopentane
CID 130233660
1-butan-2-yl-3-propylcyclopentane
CID 123336585
1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane
CID 163290396
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
(3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one
CID 138525019

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine?
The IUPAC name of 2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine (CID 146323959) is 2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine.
What is the SMILES notation for 2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine?
The canonical SMILES for 2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine is CCCCC(C)(N)C(C)(CN)C(C)C1CC(CCC)C1.
What is the InChIKey of 2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine?
The InChIKey is XOAWFQGVVUKDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-8-10-18(5,20)17(4,13-19)14(3)16-11-15(12-16)9-7-2/h14-16H,6-13,19-20H2,1-5H3.
What are the key properties of 2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine?
2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine is sourced from PubChem (CID 146323959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).