N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine

C14H29NO — CID 43130311

IUPACN-[3-(cyclopropylmethoxy)propyl]heptan-1-amine
SMILESCCCCCCCNCCCOCC1CC1
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-10-15-11-7-12-16-13-14-8-9-14/h14-15H,2-13H2,1H3
InChIKeyTVNNLWMSYFGIQF-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds12

About N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine

N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine (PubChem CID 43130311) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]heptan-1-amine
PubChem CID43130311
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]heptan-1-amine
SMILESCCCCCCCNCCCOCC1CC1
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-10-15-11-7-12-16-13-14-8-9-14/h14-15H,2-13H2,1H3
InChIKeyTVNNLWMSYFGIQF-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecoxymethylcyclopropane;methane;tetradecoxymethylcyclopropane;tridecoxymethylcyclopropane
CID 161458556
5-(cyclohexylmethoxy)-N-propylpentan-1-amine
CID 62485454
N-(cyclopropylmethoxy)decan-1-amine
CID 151106979
N-[2-(oxan-4-ylmethoxy)ethyl]butan-1-amine
CID 62583465
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine
CID 177357546
5-pentoxy-N-propylpentan-1-amine
CID 62451179
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
3-hexoxy-N-propylpropan-1-amine
CID 62456253
3-(cyclopropylmethoxy)-N-methylpropan-1-amine
CID 60697422
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine (CID 43130311) is N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine is CCCCCCCNCCCOCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine?
The InChIKey is TVNNLWMSYFGIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-3-4-5-6-10-15-11-7-12-16-13-14-8-9-14/h14-15H,2-13H2,1H3.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine?
N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine is sourced from PubChem (CID 43130311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).