N-butan-2-yl-N-ethylcyclopropanamine

C9H19N — CID 123791449

IUPACN-butan-2-yl-N-ethylcyclopropanamine
SMILESCCC(C)N(CC)C1CC1
InChIInChI=1S/C9H19N/c1-4-8(3)10(5-2)9-6-7-9/h8-9H,4-7H2,1-3H3
InChIKeyHELYCWXJYPBKKU-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.27
Rot. Bonds4

About N-butan-2-yl-N-ethylcyclopropanamine

N-butan-2-yl-N-ethylcyclopropanamine (PubChem CID 123791449) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-butan-2-yl-N-ethylcyclopropanamine.

Molecular Properties

Compound NameN-butan-2-yl-N-ethylcyclopropanamine
PubChem CID123791449
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-butan-2-yl-N-ethylcyclopropanamine
SMILESCCC(C)N(CC)C1CC1
InChIInChI=1S/C9H19N/c1-4-8(3)10(5-2)9-6-7-9/h8-9H,4-7H2,1-3H3
InChIKeyHELYCWXJYPBKKU-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-butan-2-yl-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 114762837
3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62420912
1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
CID 62422950
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine
CID 103189119
N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine
CID 102861028
2-N-cyclohexyl-2-N-ethylpropane-1,2-diamine
CID 16784373
2-N-cyclopropyl-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62570622
2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one
CID 77400027
4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine
CID 80557958
N-butan-2-yl-N-propylpiperidin-4-amine
CID 60806146
trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol
CID 102731869
2-N-cyclopentyl-1-N,2-N-diethylpropane-1,2-diamine
CID 62421955

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethylcyclopropanamine?
The IUPAC name of N-butan-2-yl-N-ethylcyclopropanamine (CID 123791449) is N-butan-2-yl-N-ethylcyclopropanamine.
What is the SMILES notation for N-butan-2-yl-N-ethylcyclopropanamine?
The canonical SMILES for N-butan-2-yl-N-ethylcyclopropanamine is CCC(C)N(CC)C1CC1.
What is the InChIKey of N-butan-2-yl-N-ethylcyclopropanamine?
The InChIKey is HELYCWXJYPBKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-8(3)10(5-2)9-6-7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N-butan-2-yl-N-ethylcyclopropanamine?
N-butan-2-yl-N-ethylcyclopropanamine has a molecular weight of 141.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethylcyclopropanamine is sourced from PubChem (CID 123791449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).