N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine

C14H25NO — CID 65163624

IUPACN-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine
SMILESC(CNC(C1CC1)C1CC1)CC1CCCO1
InChIInChI=1S/C14H25NO/c1(3-13-4-2-10-16-13)9-15-14(11-5-6-11)12-7-8-12/h11-15H,1-10H2
InChIKeyPVDHCWGYFIVTOL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds7

About N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine

N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65163624) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID65163624
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine
SMILESC(CNC(C1CC1)C1CC1)CC1CCCO1
InChIInChI=1S/C14H25NO/c1(3-13-4-2-10-16-13)9-15-14(11-5-6-11)12-7-8-12/h11-15H,1-10H2
InChIKeyPVDHCWGYFIVTOL-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.72
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

N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104629286
4-methylsulfinyl-N-[3-(oxolan-2-yl)propyl]butan-2-amine
CID 104668694
N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine
CID 106229517
N-[3-(oxolan-2-yl)propyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 65163462
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
2-(4-chloro-4-cyclopropylbutyl)oxolane
CID 64506432
4-methyl-2-[3-(oxolan-2-yl)propylamino]pentanoic acid
CID 65162090
1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104626329
N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
CID 104668632

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine (CID 65163624) is N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine is C(CNC(C1CC1)C1CC1)CC1CCCO1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is PVDHCWGYFIVTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1(3-13-4-2-10-16-13)9-15-14(11-5-6-11)12-7-8-12/h11-15H,1-10H2.
What are the key properties of N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine?
N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65163624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).