2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine

C14H29NO — CID 115717829

IUPAC2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine
SMILESCCC(NC(C)CC1CCCO1)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-13(14(3,4)5)15-11(2)10-12-8-7-9-16-12/h11-13,15H,6-10H2,1-5H3
InChIKeyPRTRYNVGSDBJJA-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds5

About 2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine

2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine (PubChem CID 115717829) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine
PubChem CID115717829
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine
SMILESCCC(NC(C)CC1CCCO1)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-13(14(3,4)5)15-11(2)10-12-8-7-9-16-12/h11-13,15H,6-10H2,1-5H3
InChIKeyPRTRYNVGSDBJJA-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115705336
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
1-(oxolan-2-yl)-N-[1-(oxolan-2-yl)ethyl]propan-2-amine
CID 115709344
N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine
CID 115725763
4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol
CID 115724586
2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol
CID 115895173
2-methyl-2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115927323
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115722687
[3,3-dimethyl-1-(oxan-2-yl)butan-2-yl]hydrazine
CID 105267531
N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
CID 115716501

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine (CID 115717829) is 2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine is CCC(NC(C)CC1CCCO1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine?
The InChIKey is PRTRYNVGSDBJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-13(14(3,4)5)15-11(2)10-12-8-7-9-16-12/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine?
2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine is sourced from PubChem (CID 115717829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).