2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

C15H29N3O — CID 106592732

IUPAC2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCN(C)C1)C1CCCC(N)C1
InChIInChI=1S/C15H29N3O/c1-11(13-4-3-5-14(16)8-13)15(19)17-9-12-6-7-18(2)10-12/h11-14H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyZTVBTGYINHUAPR-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.21
Rot. Bonds4

About 2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 106592732) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
PubChem CID106592732
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCN(C)C1)C1CCCC(N)C1
InChIInChI=1S/C15H29N3O/c1-11(13-4-3-5-14(16)8-13)15(19)17-9-12-6-7-18(2)10-12/h11-14H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyZTVBTGYINHUAPR-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 106592975
2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 106592824
2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 116675896
2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592896
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 106592894
2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 106592649
2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide
CID 106593109
2-(3-aminocyclohexyl)-N-cyclopentylpropanamide
CID 106592608
2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide
CID 106592741
2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide
CID 106592764
2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 114995517

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (CID 106592732) is 2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is CC(C(=O)NCC1CCN(C)C1)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is ZTVBTGYINHUAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11(13-4-3-5-14(16)8-13)15(19)17-9-12-6-7-18(2)10-12/h11-14H,3-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 267.42 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 106592732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).