N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine

C15H29N3 — CID 83963223

IUPACN-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine
SMILESC1CC(NCCN2CCC(CCNC3CC3)C2)C1
InChIInChI=1S/C15H29N3/c1-2-14(3-1)17-9-11-18-10-7-13(12-18)6-8-16-15-4-5-15/h13-17H,1-12H2
InChIKeyMEYHVNIHAYBMMG-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.59
Rot. Bonds8

About N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine

N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine (PubChem CID 83963223) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine
PubChem CID83963223
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine
SMILESC1CC(NCCN2CCC(CCNC3CC3)C2)C1
InChIInChI=1S/C15H29N3/c1-2-14(3-1)17-9-11-18-10-7-13(12-18)6-8-16-15-4-5-15/h13-17H,1-12H2
InChIKeyMEYHVNIHAYBMMG-UHFFFAOYSA-N
XLogP1.59
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 83963231
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine
CID 62574590
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclooctanamine
CID 115717422
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
CID 65087017
4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine
CID 114515181
4-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 62561809
N-[2-(3-ethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine
CID 55090197
4-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 63503899
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-(2-cyclobutylethyl)-1-methylpiperidin-4-amine
CID 115893453

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine?
The IUPAC name of N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine (CID 83963223) is N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine.
What is the SMILES notation for N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine?
The canonical SMILES for N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine is C1CC(NCCN2CCC(CCNC3CC3)C2)C1.
What is the InChIKey of N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine?
The InChIKey is MEYHVNIHAYBMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-14(3-1)17-9-11-18-10-7-13(12-18)6-8-16-15-4-5-15/h13-17H,1-12H2.
What are the key properties of N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine?
N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine has a molecular weight of 251.42 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine is sourced from PubChem (CID 83963223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).