N-[(1-hexylcyclopropyl)methyl]propan-1-amine

C13H27N — CID 66026661

IUPACN-[(1-hexylcyclopropyl)methyl]propan-1-amine
SMILESCCCCCCC1(CNCCC)CC1
InChIInChI=1S/C13H27N/c1-3-5-6-7-8-13(9-10-13)12-14-11-4-2/h14H,3-12H2,1-2H3
InChIKeyBUCDRLWMOMNCKO-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.74
Rot. Bonds9

About N-[(1-hexylcyclopropyl)methyl]propan-1-amine

N-[(1-hexylcyclopropyl)methyl]propan-1-amine (PubChem CID 66026661) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[(1-hexylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-hexylcyclopropyl)methyl]propan-1-amine
PubChem CID66026661
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[(1-hexylcyclopropyl)methyl]propan-1-amine
SMILESCCCCCCC1(CNCCC)CC1
InChIInChI=1S/C13H27N/c1-3-5-6-7-8-13(9-10-13)12-14-11-4-2/h14H,3-12H2,1-2H3
InChIKeyBUCDRLWMOMNCKO-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
CID 114757564
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
CID 115455602
[1-[(hexylamino)methyl]cyclopropyl]methanol
CID 115454400
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
ethane;1-ethyl-1-hexylcyclopropane
CID 143025428
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668

Frequently Asked Questions

What is the IUPAC name of N-[(1-hexylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-hexylcyclopropyl)methyl]propan-1-amine (CID 66026661) is N-[(1-hexylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-hexylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-hexylcyclopropyl)methyl]propan-1-amine is CCCCCCC1(CNCCC)CC1.
What is the InChIKey of N-[(1-hexylcyclopropyl)methyl]propan-1-amine?
The InChIKey is BUCDRLWMOMNCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-5-6-7-8-13(9-10-13)12-14-11-4-2/h14H,3-12H2,1-2H3.
What are the key properties of N-[(1-hexylcyclopropyl)methyl]propan-1-amine?
N-[(1-hexylcyclopropyl)methyl]propan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hexylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 66026661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).