N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide

C9H18N2O — CID 175804988

IUPACN-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide
SMILESCC(=O)NCC1(CN(C)C)CC1
InChIInChI=1S/C9H18N2O/c1-8(12)10-6-9(4-5-9)7-11(2)3/h4-7H2,1-3H3,(H,10,12)
InChIKeyZWGCAKZCKBCCSZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds4

About N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide

N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide (PubChem CID 175804988) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide
PubChem CID175804988
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide
SMILESCC(=O)NCC1(CN(C)C)CC1
InChIInChI=1S/C9H18N2O/c1-8(12)10-6-9(4-5-9)7-11(2)3/h4-7H2,1-3H3,(H,10,12)
InChIKeyZWGCAKZCKBCCSZ-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
CID 142068659
1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea
CID 148871995
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide
CID 75456837
2-(dimethylamino)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114757294
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
4-[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]methyl]benzoic acid
CID 122032841
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 91957431
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
(1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 124731992
N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide
CID 131039188

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide?
The IUPAC name of N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide (CID 175804988) is N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide?
The canonical SMILES for N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide is CC(=O)NCC1(CN(C)C)CC1.
What is the InChIKey of N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide?
The InChIKey is ZWGCAKZCKBCCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(12)10-6-9(4-5-9)7-11(2)3/h4-7H2,1-3H3,(H,10,12).
What are the key properties of N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide?
N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide has a molecular weight of 170.26 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide is sourced from PubChem (CID 175804988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).