1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine

C17H27NO — CID 164643362

IUPAC1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine
SMILESCOC(C)(C)C[C@H](C)NC1(Cc2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-14(12-16(2,3)19-4)18-17(10-11-17)13-15-8-6-5-7-9-15/h5-9,14,18H,10-13H2,1-4H3/t14-/m0/s1
InChIKeyBIVXDGWQEUDBEO-AWEZNQCLSA-N
MW261.41 g/mol
LogP3.55
Rot. Bonds7

About 1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine

1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine (PubChem CID 164643362) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine
PubChem CID164643362
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine
SMILESCOC(C)(C)C[C@H](C)NC1(Cc2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-14(12-16(2,3)19-4)18-17(10-11-17)13-15-8-6-5-7-9-15/h5-9,14,18H,10-13H2,1-4H3/t14-/m0/s1
InChIKeyBIVXDGWQEUDBEO-AWEZNQCLSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine (CID 164643362) is 1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine is COC(C)(C)C[C@H](C)NC1(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine?
The InChIKey is BIVXDGWQEUDBEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(12-16(2,3)19-4)18-17(10-11-17)13-15-8-6-5-7-9-15/h5-9,14,18H,10-13H2,1-4H3/t14-/m0/s1.
What are the key properties of 1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine?
1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 164643362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).