N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine

C13H27NO — CID 115724125

IUPACN-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine
SMILESCCC(NC(C)CC(C)(C)OC)C1CC1
InChIInChI=1S/C13H27NO/c1-6-12(11-7-8-11)14-10(2)9-13(3,4)15-5/h10-12,14H,6-9H2,1-5H3
InChIKeyULUKLEMURSRADN-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine

N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 115724125) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine
PubChem CID115724125
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine
SMILESCCC(NC(C)CC(C)(C)OC)C1CC1
InChIInChI=1S/C13H27NO/c1-6-12(11-7-8-11)14-10(2)9-13(3,4)15-5/h10-12,14H,6-9H2,1-5H3
InChIKeyULUKLEMURSRADN-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1-cyclopropylpropylamino)butan-1-ol
CID 103871687
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
1-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 115895248
(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
CID 29014802
N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine
CID 115722054
methyl (2S)-2-(1-cyclopropylpropylamino)propanoate
CID 64920130
1-[2-(1-cyclopropylpropylamino)propyl]pyrrolidin-2-one
CID 64918845
N-(1-cyclopropylpropyl)-2-methylpentan-3-amine
CID 64917590
N-(cyclopentylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 43370737
1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
CID 115770147
4-methoxy-4-methyl-N-(thian-4-ylmethyl)pentan-2-amine
CID 115719916
1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 82719668

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine (CID 115724125) is N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine is CCC(NC(C)CC(C)(C)OC)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is ULUKLEMURSRADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-12(11-7-8-11)14-10(2)9-13(3,4)15-5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine?
N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 115724125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).