N-(cyclopropylmethoxy)decan-1-amine

C14H29NO — CID 151106979

IUPACN-(cyclopropylmethoxy)decan-1-amine
SMILESCCCCCCCCCCNOCC1CC1
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-12-15-16-13-14-10-11-14/h14-15H,2-13H2,1H3
InChIKeyMPHSXVJTAXWQCB-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.06
Rot. Bonds12

About N-(cyclopropylmethoxy)decan-1-amine

N-(cyclopropylmethoxy)decan-1-amine (PubChem CID 151106979) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)decan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)decan-1-amine
PubChem CID151106979
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(cyclopropylmethoxy)decan-1-amine
SMILESCCCCCCCCCCNOCC1CC1
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-12-15-16-13-14-10-11-14/h14-15H,2-13H2,1H3
InChIKeyMPHSXVJTAXWQCB-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)decan-1-amine?
The IUPAC name of N-(cyclopropylmethoxy)decan-1-amine (CID 151106979) is N-(cyclopropylmethoxy)decan-1-amine.
What is the SMILES notation for N-(cyclopropylmethoxy)decan-1-amine?
The canonical SMILES for N-(cyclopropylmethoxy)decan-1-amine is CCCCCCCCCCNOCC1CC1.
What is the InChIKey of N-(cyclopropylmethoxy)decan-1-amine?
The InChIKey is MPHSXVJTAXWQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-12-15-16-13-14-10-11-14/h14-15H,2-13H2,1H3.
What are the key properties of N-(cyclopropylmethoxy)decan-1-amine?
N-(cyclopropylmethoxy)decan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 4.06, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)decan-1-amine is sourced from PubChem (CID 151106979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).