N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine

C14H27NO — CID 103991250

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCC2CC2(C)C)CCO1
InChIInChI=1S/C14H27NO/c1-4-5-13-8-12(6-7-16-13)15-10-11-9-14(11,2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyKVHQQYPCAUWNCN-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds5

About N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine

N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine (PubChem CID 103991250) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine
PubChem CID103991250
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCC2CC2(C)C)CCO1
InChIInChI=1S/C14H27NO/c1-4-5-13-8-12(6-7-16-13)15-10-11-9-14(11,2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyKVHQQYPCAUWNCN-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine
CID 103991074
4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65115439
2,2-dimethyl-N-(2-propyloxan-4-yl)oxan-4-amine
CID 83032687
N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine
CID 102904715
2,6-dimethyl-N-(2-propyloxan-4-yl)piperidin-1-amine
CID 83007696
6-[(2-propyloxan-4-yl)amino]hexan-1-ol
CID 103991516
N-[(1-methoxycyclobutyl)methyl]-2-propyloxan-4-amine
CID 113362714
4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol
CID 103991084
N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine
CID 79762409
3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol
CID 66091276
N-[2-(cyclopropylmethoxy)ethyl]-2-propyloxan-4-amine
CID 103991212
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine
CID 103991149

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine (CID 103991250) is N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine is CCCC1CC(NCC2CC2(C)C)CCO1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine?
The InChIKey is KVHQQYPCAUWNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-13-8-12(6-7-16-13)15-10-11-9-14(11,2)3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine?
N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine is sourced from PubChem (CID 103991250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).