N-[3-(4-methylpentoxy)propyl]formamide

C10H21NO2 — CID 167156422

IUPACN-[3-(4-methylpentoxy)propyl]formamide
SMILESCC(C)CCCOCCCNC=O
InChIInChI=1S/C10H21NO2/c1-10(2)5-3-7-13-8-4-6-11-9-12/h9-10H,3-8H2,1-2H3,(H,11,12)
InChIKeyORJLAFUUKHRXFI-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.58
Rot. Bonds9

About N-[3-(4-methylpentoxy)propyl]formamide

N-[3-(4-methylpentoxy)propyl]formamide (PubChem CID 167156422) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[3-(4-methylpentoxy)propyl]formamide.

Molecular Properties

Compound NameN-[3-(4-methylpentoxy)propyl]formamide
PubChem CID167156422
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[3-(4-methylpentoxy)propyl]formamide
SMILESCC(C)CCCOCCCNC=O
InChIInChI=1S/C10H21NO2/c1-10(2)5-3-7-13-8-4-6-11-9-12/h9-10H,3-8H2,1-2H3,(H,11,12)
InChIKeyORJLAFUUKHRXFI-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443
N-[3-[2-(methylamino)ethoxy]propyl]formamide
CID 171561109
3-(4-methylpentoxy)-N-prop-2-enylpropan-1-amine
CID 164556992
N-[3-(2-methylbutoxy)propyl]formamide
CID 90045792
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide
CID 145023773
2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen
CID 158253210
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
(2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide
CID 177054270

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpentoxy)propyl]formamide?
The IUPAC name of N-[3-(4-methylpentoxy)propyl]formamide (CID 167156422) is N-[3-(4-methylpentoxy)propyl]formamide.
What is the SMILES notation for N-[3-(4-methylpentoxy)propyl]formamide?
The canonical SMILES for N-[3-(4-methylpentoxy)propyl]formamide is CC(C)CCCOCCCNC=O.
What is the InChIKey of N-[3-(4-methylpentoxy)propyl]formamide?
The InChIKey is ORJLAFUUKHRXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2)5-3-7-13-8-4-6-11-9-12/h9-10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of N-[3-(4-methylpentoxy)propyl]formamide?
N-[3-(4-methylpentoxy)propyl]formamide has a molecular weight of 187.28 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpentoxy)propyl]formamide is sourced from PubChem (CID 167156422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).