(3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine

C14H27N3O — CID 125444142

IUPAC(3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine
SMILESCN1CCN(CC2(CN[C@H]3CCOC3)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-5-7-17(8-6-16)12-14(3-4-14)11-15-13-2-9-18-10-13/h13,15H,2-12H2,1H3/t13-/m0/s1
InChIKeyUZZRHINNVVTAOL-ZDUSSCGKSA-N
MW253.39 g/mol
LogP0.39
Rot. Bonds5

About (3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine

(3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine (PubChem CID 125444142) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine
PubChem CID125444142
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine
SMILESCN1CCN(CC2(CN[C@H]3CCOC3)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-5-7-17(8-6-16)12-14(3-4-14)11-15-13-2-9-18-10-13/h13,15H,2-12H2,1H3/t13-/m0/s1
InChIKeyUZZRHINNVVTAOL-ZDUSSCGKSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine (CID 125444142) is (3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine is CN1CCN(CC2(CN[C@H]3CCOC3)CC2)CC1.
What is the InChIKey of (3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine?
The InChIKey is UZZRHINNVVTAOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-5-7-17(8-6-16)12-14(3-4-14)11-15-13-2-9-18-10-13/h13,15H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine?
(3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine has a molecular weight of 253.39 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine is sourced from PubChem (CID 125444142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).