N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine

C13H27NO — CID 62905553

IUPACN-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C13H27NO/c1-11(2)9-13(10-14-12(3)4)5-7-15-8-6-13/h11-12,14H,5-10H2,1-4H3
InChIKeyNHBGZKWLMLIHNA-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds5

About N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine

N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine (PubChem CID 62905553) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
PubChem CID62905553
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C13H27NO/c1-11(2)9-13(10-14-12(3)4)5-7-15-8-6-13/h11-12,14H,5-10H2,1-4H3
InChIKeyNHBGZKWLMLIHNA-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 115440025
2-methyl-N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-1-amine
CID 62905571
4-ethyl-4-(2-methylpropyl)oxane
CID 58432614
N-[(4-nonyloxan-4-yl)methyl]propan-2-amine
CID 63502493
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392347
4-(chloromethyl)-4-(2-methylpropyl)oxane
CID 66034418
N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62392512
N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine
CID 115690960
4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 115295165
N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391813
3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 63009367

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine (CID 62905553) is N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine is CC(C)CC1(CNC(C)C)CCOCC1.
What is the InChIKey of N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine?
The InChIKey is NHBGZKWLMLIHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)9-13(10-14-12(3)4)5-7-15-8-6-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine?
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62905553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).