N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide

C18H29NO — CID 70997462

IUPACN-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide
SMILESCC/C=C\CC[C@H]1C[C@H]1CN(CC1CC1)C(=O)C1CC1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-6-16-11-17(16)13-19(12-14-7-8-14)18(20)15-9-10-15/h3-4,14-17H,2,5-13H2,1H3/b4-3-/t16-,17-/m0/s1
InChIKeyFGQPJCYOJMGADH-QCDWVSHVSA-N
MW275.44 g/mol
LogP4.02
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide

N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide (PubChem CID 70997462) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide
PubChem CID70997462
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide
SMILESCC/C=C\CC[C@H]1C[C@H]1CN(CC1CC1)C(=O)C1CC1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-6-16-11-17(16)13-19(12-14-7-8-14)18(20)15-9-10-15/h3-4,14-17H,2,5-13H2,1H3/b4-3-/t16-,17-/m0/s1
InChIKeyFGQPJCYOJMGADH-QCDWVSHVSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide
CID 89174574
N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide
CID 76600100
N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide
CID 59793373
4-[cyclopropylmethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63955071
2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid
CID 67318470
2-hex-3-enylcyclopropan-1-ol
CID 123588538
1-(3-ethylcyclopentyl)-2-methylprop-2-en-1-one
CID 79190153
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
N-cyclopropyl-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 63104396
N-nona-2,6-dienylcyclopropanecarboxamide
CID 68854459
N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831
(E)-1-(4-ethylcyclohexyl)pent-2-en-1-one
CID 103454295

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide (CID 70997462) is N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide is CC/C=C\CC[C@H]1C[C@H]1CN(CC1CC1)C(=O)C1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide?
The InChIKey is FGQPJCYOJMGADH-QCDWVSHVSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-3-4-5-6-16-11-17(16)13-19(12-14-7-8-14)18(20)15-9-10-15/h3-4,14-17H,2,5-13H2,1H3/b4-3-/t16-,17-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide?
N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide has a molecular weight of 275.44 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 70997462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).