N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine

C14H30N2O — CID 62575890

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCC1CCN(CCNCCCOC(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)17-12-4-7-15-8-11-16-9-5-14(3)6-10-16/h13-15H,4-12H2,1-3H3
InChIKeyDQHWLVQVTCPUID-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds8

About N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine

N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 62575890) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
PubChem CID62575890
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCC1CCN(CCNCCCOC(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)17-12-4-7-15-8-11-16-9-5-14(3)6-10-16/h13-15H,4-12H2,1-3H3
InChIKeyDQHWLVQVTCPUID-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 106009782
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 55090257
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 61240080
3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine
CID 62558812
N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]pentan-1-amine
CID 103503529
1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propan-2-yloxypropyl)guanidine
CID 111246701
3-propan-2-yloxy-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63153863
4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
CID 166128107
1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089801
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pentan-1-amine
CID 61240666
3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 170444194

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine (CID 62575890) is N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine is CC1CCN(CCNCCCOC(C)C)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is DQHWLVQVTCPUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2)17-12-4-7-15-8-11-16-9-5-14(3)6-10-16/h13-15H,4-12H2,1-3H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 62575890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).