N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine

C12H23N — CID 115892173

IUPACN-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NC(C)C1(C)CC1
InChIInChI=1S/C12H23N/c1-4-5-10-8-11(10)13-9(2)12(3)6-7-12/h9-11,13H,4-8H2,1-3H3
InChIKeyDBCQQRNABWNTNC-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds5

About N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine

N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine (PubChem CID 115892173) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine
PubChem CID115892173
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NC(C)C1(C)CC1
InChIInChI=1S/C12H23N/c1-4-5-10-8-11(10)13-9(2)12(3)6-7-12/h9-11,13H,4-8H2,1-3H3
InChIKeyDBCQQRNABWNTNC-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1-methylcyclopropyl)ethyl]cyclopropanamine
CID 43363059
N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine
CID 115892176
3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine
CID 103578466
1-(1-methylcyclopropyl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 115893870
2,2-dimethyl-3-[(2-propylcyclopropyl)amino]cyclobutan-1-ol
CID 103952172
N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine
CID 115892229
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
CID 103902769
4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol
CID 104583308
N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine
CID 62119280
4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine
CID 114110275
N-[cyclopropyl(thiophen-2-yl)methyl]-2-propylcyclopropan-1-amine
CID 115898671
3-ethoxy-N-(2-propylcyclopropyl)spiro[3.3]heptan-1-amine
CID 103921918

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine (CID 115892173) is N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine is CCCC1CC1NC(C)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine?
The InChIKey is DBCQQRNABWNTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-5-10-8-11(10)13-9(2)12(3)6-7-12/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine?
N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-2-propylcyclopropan-1-amine is sourced from PubChem (CID 115892173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).