N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine

C11H21N — CID 59093097

IUPACN-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine
SMILESC=C(C)NCC[C@@H]1C[C@]1(C)CC
InChIInChI=1S/C11H21N/c1-5-11(4)8-10(11)6-7-12-9(2)3/h10,12H,2,5-8H2,1,3-4H3/t10-,11+/m1/s1
InChIKeySGIZSQITVSUDQI-MNOVXSKESA-N
MW167.30 g/mol
LogP2.94
Rot. Bonds5

About N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine

N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine (PubChem CID 59093097) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine
PubChem CID59093097
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine
SMILESC=C(C)NCC[C@@H]1C[C@]1(C)CC
InChIInChI=1S/C11H21N/c1-5-11(4)8-10(11)6-7-12-9(2)3/h10,12H,2,5-8H2,1,3-4H3/t10-,11+/m1/s1
InChIKeySGIZSQITVSUDQI-MNOVXSKESA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine?
The IUPAC name of N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine (CID 59093097) is N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine.
What is the SMILES notation for N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine?
The canonical SMILES for N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine is C=C(C)NCC[C@@H]1C[C@]1(C)CC.
What is the InChIKey of N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine?
The InChIKey is SGIZSQITVSUDQI-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21N/c1-5-11(4)8-10(11)6-7-12-9(2)3/h10,12H,2,5-8H2,1,3-4H3/t10-,11+/m1/s1.
What are the key properties of N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine?
N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine is sourced from PubChem (CID 59093097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).