N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide

C10H18N2O2 — CID 14029471

IUPACN-[[4-(formamidomethyl)cyclohexyl]methyl]formamide
SMILESO=CNCC1CCC(CNC=O)CC1
InChIInChI=1S/C10H18N2O2/c13-7-11-5-9-1-2-10(4-3-9)6-12-8-14/h7-10H,1-6H2,(H,11,13)(H,12,14)
InChIKeyKIOWTPKBYBFHGX-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.28
Rot. Bonds6

About N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide

N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide (PubChem CID 14029471) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(formamidomethyl)cyclohexyl]methyl]formamide
PubChem CID14029471
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[[4-(formamidomethyl)cyclohexyl]methyl]formamide
SMILESO=CNCC1CCC(CNC=O)CC1
InChIInChI=1S/C10H18N2O2/c13-7-11-5-9-1-2-10(4-3-9)6-12-8-14/h7-10H,1-6H2,(H,11,13)(H,12,14)
InChIKeyKIOWTPKBYBFHGX-UHFFFAOYSA-N
XLogP0.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Cyclohexylmethyl-formamide
CID 20333386
(Cyclohexylmethyl)urea
CID 231498
cis-1,4-Bis(acetamidomethyl)cyclohexane
CID 299429
Formamide, N-(2-propylpentyl)-
CID 218530
N-[(1R)-1-cyclohexyl-ethyl]-formamide
CID 59836339
N-(1-cyclohexylethyl)formamide
CID 54513796
N-formyl-N-(3-piperidylpropyl)amine
CID 84064929
N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide
CID 142545118
N-[(2,4-difluorocyclohexyl)methyl]formamide
CID 172344215
N-(5-formamido-4-methylpentyl)formamide
CID 14029467
methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
CID 10192832
N-[(4-aminocyclohexyl)methyl]formamide
CID 17885605

Frequently Asked Questions

What is the IUPAC name of N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide?
The IUPAC name of N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide (CID 14029471) is N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide.
What is the SMILES notation for N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide?
The canonical SMILES for N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide is O=CNCC1CCC(CNC=O)CC1.
What is the InChIKey of N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide?
The InChIKey is KIOWTPKBYBFHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-7-11-5-9-1-2-10(4-3-9)6-12-8-14/h7-10H,1-6H2,(H,11,13)(H,12,14).
What are the key properties of N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide?
N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide has a molecular weight of 198.27 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(formamidomethyl)cyclohexyl]methyl]formamide is sourced from PubChem (CID 14029471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).