N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine

C14H30N2 — CID 115318671

IUPACN'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine
SMILESCC(C)C1CCCC(N(C)CCCN)CC1
InChIInChI=1S/C14H30N2/c1-12(2)13-6-4-7-14(9-8-13)16(3)11-5-10-15/h12-14H,4-11,15H2,1-3H3
InChIKeyURLSZGIWOYKXHJ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds5

About N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine

N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine (PubChem CID 115318671) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine
PubChem CID115318671
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine
SMILESCC(C)C1CCCC(N(C)CCCN)CC1
InChIInChI=1S/C14H30N2/c1-12(2)13-6-4-7-14(9-8-13)16(3)11-5-10-15/h12-14H,4-11,15H2,1-3H3
InChIKeyURLSZGIWOYKXHJ-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 107449565
N'-cyclopropyl-N'-methylhexane-1,6-diamine
CID 43265095
N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 63451987
N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine
CID 115318806
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N'-cyclohexyl-N'-cyclopropylpropane-1,3-diamine
CID 43137536
5-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpentanamide
CID 113441005
N'-cyclopropyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852014
N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine
CID 115318700
N'-cyclobutyl-N'-cyclopentylpropane-1,3-diamine
CID 102874978
N'-cyclopropyl-N'-propan-2-ylpropane-1,3-diamine
CID 43137500
N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
CID 43610795

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine (CID 115318671) is N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine is CC(C)C1CCCC(N(C)CCCN)CC1.
What is the InChIKey of N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine?
The InChIKey is URLSZGIWOYKXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)13-6-4-7-14(9-8-13)16(3)11-5-10-15/h12-14H,4-11,15H2,1-3H3.
What are the key properties of N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine?
N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine is sourced from PubChem (CID 115318671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).