N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

C14H26N2O — CID 82835825

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(CC2CC2)C2CC2)O1
InChIInChI=1S/C14H26N2O/c1-10-2-7-14(17-10)13(8-15)16(12-5-6-12)9-11-3-4-11/h10-14H,2-9,15H2,1H3
InChIKeyXMHYNJLOWQJDDO-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.76
Rot. Bonds6

About N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (PubChem CID 82835825) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
PubChem CID82835825
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(CC2CC2)C2CC2)O1
InChIInChI=1S/C14H26N2O/c1-10-2-7-14(17-10)13(8-15)16(12-5-6-12)9-11-3-4-11/h10-14H,2-9,15H2,1H3
InChIKeyXMHYNJLOWQJDDO-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835693
N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836511
N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 82835300
N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835200
N-methyl-N-(2-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836612
N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836610
N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836012
N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 82835297
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835107
3-amino-2-[cyclopropyl(cyclopropylmethyl)amino]propanoic acid
CID 64693150
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835310
N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 82836200

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (CID 82835825) is N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is CC1CCC(C(CN)N(CC2CC2)C2CC2)O1.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The InChIKey is XMHYNJLOWQJDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-2-7-14(17-10)13(8-15)16(12-5-6-12)9-11-3-4-11/h10-14H,2-9,15H2,1H3.
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82835825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).