1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride

C14H28ClNO — CID 115683912

IUPAC1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride
SMILESCC(C)C1OCCCC1CNC(C)C1CC1.Cl
InChIInChI=1S/C14H27NO.ClH/c1-10(2)14-13(5-4-8-16-14)9-15-11(3)12-6-7-12;/h10-15H,4-9H2,1-3H3;1H
InChIKeyOMTNEBJMOSLDFZ-UHFFFAOYSA-N
MW261.84 g/mol
LogP3.25
Rot. Bonds5

About 1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride

1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride (PubChem CID 115683912) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride
PubChem CID115683912
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC Name1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride
SMILESCC(C)C1OCCCC1CNC(C)C1CC1.Cl
InChIInChI=1S/C14H27NO.ClH/c1-10(2)14-13(5-4-8-16-14)9-15-11(3)12-6-7-12;/h10-15H,4-9H2,1-3H3;1H
InChIKeyOMTNEBJMOSLDFZ-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine
CID 115726723
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine
CID 115892654
3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
CID 120502267
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697
4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 120564004
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
CID 119819545
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of 1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride (CID 115683912) is 1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride is CC(C)C1OCCCC1CNC(C)C1CC1.Cl.
What is the InChIKey of 1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride?
The InChIKey is OMTNEBJMOSLDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO.ClH/c1-10(2)14-13(5-4-8-16-14)9-15-11(3)12-6-7-12;/h10-15H,4-9H2,1-3H3;1H.
What are the key properties of 1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride?
1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride has a molecular weight of 261.84 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 115683912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).