N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine

C10H21NO — CID 94565928

IUPACN,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
SMILESCNCC(C)(C)C[C@@H]1CCCO1
InChIInChI=1S/C10H21NO/c1-10(2,8-11-3)7-9-5-4-6-12-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyFWWDVVCRHDKJKB-VIFPVBQESA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine

N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine (PubChem CID 94565928) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
PubChem CID94565928
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
SMILESCNCC(C)(C)C[C@@H]1CCCO1
InChIInChI=1S/C10H21NO/c1-10(2,8-11-3)7-9-5-4-6-12-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyFWWDVVCRHDKJKB-VIFPVBQESA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine (CID 94565928) is N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine is CNCC(C)(C)C[C@@H]1CCCO1.
What is the InChIKey of N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine?
The InChIKey is FWWDVVCRHDKJKB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,8-11-3)7-9-5-4-6-12-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine?
N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine is sourced from PubChem (CID 94565928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).